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Geant4 Model for the Stopping Power of Low Energy Negatively Charged Hadrons St´Ephane Chauvie, Petteri Nieminen and Maria Grazia Pia

Geant4 Model for the Stopping Power of Low Energy Negatively Charged Hadrons St´Ephane Chauvie, Petteri Nieminen and Maria Grazia Pia

1 Geant4 model for the stopping power of low energy negatively charged hadrons St´ephane Chauvie, Petteri Nieminen and Maria Grazia Pia

Abstract— An original model is presented for the simulation measurements; results from more sophisticated calculations of the energy loss of negatively charged hadrons. It calculates are also discussed: the agreement with both experimental data the stopping power by regarding the target atoms as an en- and state-of-the art theoretical calculations demonstrate the semble of quantum harmonic oscillators; this approach allows to account for charge dependent effects in the stopping power, validity of the method proposed and its appropriateness for which are relevant at energies below a few MeV. The resulting Monte Carlo computation. antiproton stopping powers for different elements are shown This model is implemented in the Geant4 [1], [2] Low En- to be in satisfactory agreement with experimental data. The ergy Electromagnetic package [3], [4]; it is publicly available model described in this paper is implemented in the Low Energy as part of the Geant4 toolkit. Electromagnetic package of the Geant4 Toolkit; it represents a significant improvement for the accurate simulation of low energy Various experiments, like antimatter studies in space exper- negative hadrons with respect to previously available models. iments [5] or the recent interest for biological applications of low energy antiprotons [6], [7], may profit of the specialized Index Terms— Monte Carlo, Geant4, simulation, stopping power. modelling approach presented in this paper, together with the advanced functionality and modern software technology offered by Geant4 as a general purpose Monte Carlo system. I. INTRODUCTION

HE stopping power of matter for charged particles is an II. FUNDAMENTAL CONCEPTS OF THE STOPPING POWER T important physics quantity in various applications. Its ac- OF HEAVY CHARGED PARTICLES curate knowledge over a broad range of energies and materials for both positively and negatively charged particles is essential The stopping power of a point charge penetrating through to a variety of ongoing and future physics experiments. matter at non-relativistic speed is conventionally described by Bethe’s theory [8], [9], which is based on two main assump- A reliable calculation of the stopping power of charged particles with kinetic energies below a few MeV/u is required tions: the stopping power is caused by Coulomb excitation and in Monte Carlo simulation for the precise description of energy ionization of the in the stopping medium, and the interaction can be treated within the first Born approximation. loss processes and the correct estimate of their ranges in matter. Bethe’s theory describes inelastic collisions in which the target atoms or molecules are excited or ionized. The nuclear This paper describes the development of an original model stopping power, arising from the energy transfer to atoms that for the precise simulation of the electromagnetic interactions recoil as a whole, becomes important at energies below several of negative hadrons at energies around and below the Bragg tens of keV/u; it will not be considered in this work. peak, based on the quantal harmonic oscillator approach; it For a projectile of charge Z, mass M and velocity v (kinetic proposes a systematic procedure to determine the oscillator 1 2 energy E = 2 Mv ), which traverses a medium of atomic strengths and resonance energies, which constitute the basic Z N parameters of the underlying theoretical model. The resulting number m with m target atoms per unit volume, the energy method combines simplicity and accuracy; these characteris- loss per unit path length (i.e. the stopping power) is given by [8], [9] tics make it suitable for application in Monte Carlo simulation. 4 dE 4πe 2 It is worthwhile reminding the reader that the lack of system- S ≡− = Nm Zm Z L0, dx m v2 (1) atic and precise experimental measurements of the antiproton e stopping power over the whole periodic system of elements where me and −e are the mass and charge, respec- prevents a simulation approach based on the parameterisation tively. The dimensionless stopping number L 0 is defined as of experimental data. Z 3 “ ” mev X d q 2 2 The stopping powers for antiprotons obtained with the L0 = (En − E0) δ En − E0 − q·v + q /2M |Fn0 (q)| , (2) π n q4 simulation model described are compared to experimental where En is the energy of the target state |n, obtained by Manuscript received January 12, 2007. solving the Schr¨odinger equation H|n = En|n, with the S. Chauvie is with Azienda Ospedaliera Santa Croce e Carle Cuneo and Hamiltonian H describing one target atom or molecule. In INFN Sezione di Torino, I-10125, Torino - Italy (phone: +39 0171 641558, q fax: + 39 0171 641564; e-mail:[email protected]). equation (2) is the momentum transfer in the collision; P. Nieminen is with ESA-ESTEC, Keplerplan 1, 2200 AG Noordwjik - The      Zm  Netherlands (e-mail: [email protected]).    F (q)= n exp(iq·r /¯h)0 M.G. Pia is with INFN Sezione di Genova, Via Dodecaneso 33, I-16146 n0  j  (3) Genova - Italy (e-mail: [email protected]). j=1 2

is the so-called inelastic form factor, closely related to the gen- G4hLowEnergyIonisation eralized oscillator strength [9], which in turn is proportional to the conditional probability that the target makes a transition |0 |n from the ground state to a particular excited state upon 1..n receiving a momentum q; rj are the coordinates of the atomic electrons. G4VLowEnergyModel If the ground state of the target is isotropic, (2) may be rewritten as   1 dQ 2 L0 = (En − E0) |Fn0(q)| , (4) 2 Q2 G4FreeElectronGasModel G4hBetheBlochModel n where the expression within angular brackets indicates an G4QAOLowEnergyLoss angular average, and the integration limits are obtained from  m 2 E − E + e Q ≤ 2m v2Q n 0 M e (5) Fig. 1. Class diagram of the main design features concerning negatively charged hadrons in the Geant4 Low Energy Electromagnetic package. 2 with the recoil energy defined by Q ≡ q /2me. In the case of projectile speed v much greater than the orbital speed of the target electrons, one can circumvent the III. THE ENERGY LOSS OF NEGATIVELY-CHARGED evaluation of the inelastic form factor. In this high-energy HADRONS IN GEANT4 limit, the asymptotic expression reads The Geant4 toolkit is a general-purpose Monte Carlo code

2 2meM v for the simulation of the passage of particles through matter. L0  LBethe ≡ ln , (6) Different Geant4 domains are responsible for the geometry me + M I definition, primary particle generation, simulation of particle which is the familiar Bethe formula; I is the mean excitation transport, visualization, and for other aspects of the Monte energy [10]. In general, however, one has to calculate the Carlo simulation; in particular, the Low Energy Electromag- Fn0(q) factor. The analytical evaluation of Fn0(q) is feasible netic Package offers various models for electrons and photons only for very simple systems, namely the hydrogen atom and [13], hadrons [14] and [15], with special care to low- the free-electron gas. For other systems, the inelastic form energy interactions and the accurate definition of energy factor should be obtained numerically. losses. Formally one may generalize the stopping power formula Thanks to the object oriented technology adopted and (1) including higher-order terms in the stopping number, 2 its sound design, the Geant4 Low Energy Electromagnetic replacing Z L0 by package provides a variety of physics models to describe 2 2 3 4 the stopping power of hadrons. The different models are Z L = Z L0 + Z L1 + Z L2 + ... (7) specialized according to the energy range and particle type; This expression emerges from a Born expansion of the stop- they are handled transparently by the class responsible for the ping power. The first term in the right-hand side represents hadron ionisation process G4hLowEnergyIonisation, as they the first Born approximation already described, the second is all obey the same abstract interface G4VLowEnergyModel. the Barkas (or Z 3) correction [11] and the third is the Z 4 Complementary models appropriate different energy ranges correction, part of which included in Bloch’s scheme [12]. can be composed to cover an extended energy interval in a It is worthwhile noticing that the presence of terms with simulation application; the user has the possibility to select odd powers in Z in (7) leads to a different stopping behaviour different models as appropriate to the experimental applica- of positively and negatively charged particles. This effect in- tion. creases with decreasing velocity of the projectile, and reaches In the case of negatively charged hadrons, three modelling a maximum when this is comparable to the velocity of the approaches are adopted in the Low Energy Electromagnetic electrons in the medium. package to describe the energy loss with adequate simulation It is important to stress that the Born-series expansion accuracy at different energies of the interacting particle. The (7) does not account for other effects in the stopping of class diagram in Fig. 1 shows the main design features heavy particles, such as, for instance, the capture and loss concerning this domain; the diagram is expressed in UML of electrons from the medium in the course of the slowing (Unified Modeling Language) [16]. down of positively-charged particles. This phenomenon is The Barkas effect plays a significant role in the energy often treated in the various formalisms by assigning to the loss of hadrons at intermediate and low energies, but it can “dressed” projectile a velocity-dependent effective charge. be neglected at relatively high energies; therefore the same In this respect, it has been said that antiprotons are “the Bethe–Bloch model for the energy loss of both positive and theorist’s favourite low-energy projectile”: the lack of bound negative hadrons is implemented in Geant4 for kinetic energies electron-antiproton states makes them travel as bare, undressed E>E2 = 2 MeV/u. In the Low Energy Electromagnetic particles, thus simplifying the theoretical description of the package implementation the the Bethe formula is supple- inelastic interactions experienced by them. mented with shell corrections and relativistic effects, including 3 the density-effect correction [14]. for instance [29]); this is also the case for the higher-order L 1 The extended oscillator model described in the follow- and L2 terms. Alternative approaches, such as the dielectric ing section has been specifically developed for the Geant4 formalism (local-density approximation) [20] or the kinetic Low Energy Electromagnetic package to handle projectile theory [30], share similar difficulties; therefore they are not kinetic energies E1

The situation is slightly worse for gold (Fig. 5), where discrepancies of the order of 20–30% are found. For these elements the measured values seem to indicate a flatter Bragg peak than the one obtained from the calculations. However, the large spread of experimental data does not permit the extraction of definitive conclusions until further experiments are undertaken. It is nevertheless clear that the use of proton stopping powers considerably overpredicts the data for antiprotons. In summary, from the present comparison the global agreement between the measured stopping powers and the quantal har- monic oscillator model with parameters fn and ωn determined as described in this paper looks satisfactory; it represents a significant improvement of the achievable simulation relia- bility with respect to the model for protons, which was the only approach for hadron ionisation available in the Geant4 Low Energy Electromagnetic package prior to the present development. For antiproton kinetic energies below around 30 keV only limited experimental data are available [21]. The scatter of the Fig. 2. Stopping number for antiprotons in Silicon as resulting from the sum of the terms in Born expansion: L0 (Bethe term), L1 (Barkas term), L02 measured values is rather large, and is caused by fluctuations (Bloch term),and the total stopping number L; the vertical scale is in arbitrary in the intensity of the pulsed antiproton beam. However, the units. effect of a stopping power proportional to the velocity of the projectile is clearly observable for gold and well reproduced by the present model. data collected with the LEAR antiproton beam at CERN [45]– In the case of aluminium and silicon, more sophisticated [49]. This paper presents a first comparison with selected data calculations of antiproton stopping power have been performed sets of relevant experiments for the evaluation of the soundness by Arista and Lifschitz [31], [32]. These authors employed a of the modelling approach; a more comprehensive validation self-consistent method based on the extension of the Friedel study of the Geant4 model developed is foreseen as the object sum rule to finite velocities, which incorporates non-linear of a dedicated future paper. effects in the description of the energy loss of heavy charged The experiments concerned were carried out by first degrad- particles. The resuls of this approach are in similar agreement ing the 5.9 MeV antiprotons from the accelerator to the desired with the cited experimental values as the extended harmonic kinetic energy, then measuring the change in their velocity, by oscillator model presented in this paper; this demonstrates that means of a time-of-flight technique, on passing through foils the simple approach adopted for the Geant4 model is anyway of various compositions and thicknesses. adequate for Monte Carlo simulation applications. The measured stopping powers for aluminium, silicon, and gold are plotted in Fig. 3 to 5. These experimental values show significant variations, reflecting the difficulties inherent V. C ONCLUSION to such measurements. In particular, systematic errors arise A specialized model for the energy loss of negative hadrons from the imprecision in the determination of the thicknesses of has been developed for the Geant4 Low Energy Electromag- the foils used as stopping material, which are in the range 0.31 netic package. It is based on the quantal harmonic oscillator to 6.9 μm, and from the finite resolution of the time-of-flight model, which provides a simple, yet sufficiently accurate method [48], [49]. For instance, the antiproton data of [47] theoretical framework for the calculation of stopping powers had to be renormalized [48], [49] because the gold foils were suitable for Monte Carlo transport applications; it is applicable found to be 17% thinner than specified by the manufacturer. to particles of energy between 25 keV/u and 2 MeV/u. One should bear these limitations in mind when comparing The agreement between this model and available measure- the experimental results with theoretical calculations. ments is satisfactory for simulation applications. In the case For aluminium and silicon (Fig. 3 and 4) the agreement of low-atomic-number elements, the differences do not exceed between theory and experiment above several tens of keV is ∼ 10%, whereas for elements with high atomic numbers quite good, with differences smaller than ∼ 10%. For these they can reach up to ∼ 30%. Nonetheless, even in this case two elements the measured values cover a wide energy range the calculation based on the model developed represents an and yield a well-defined maximum of S(E). Around 200 keV, improvement with respect to the previously available simu- the Geant4 calculation for silicon is in better agreement with lation tools, since the use of proton stopping powers in a the data reported in reference [48], [49] than with the older simulation would lead to errors around 50–60%. The data measurements [45], [46]. The latter values are somewhat from the extended harmonic oscillator model are in agreement lower, presumably due to a systematic error in the energy with other theoretical calculations based on more sophisticated calibration [48], [49]. models. 6

Fig. 3. Stopping powers for antiprotons in aluminium: the solid curve is Fig. 4. Stopping powers for antiprotons in silicon: the solid curve is the result the result of the Geant4 model; the dashed curve is the stopping power for of the Geant4 model; the dashed curve is the stopping power for protons [44]; protons [44]; the dots are experimental data from [21], [48], [49]. the dots are experimental data from [45], [46], [48], [49]; the dotted curve is the result of the more sophisticated theoretical model in [31], [32].

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